Information card for entry 2205331

Structure parameters

• Chemical name: Chloro(4,7-diphenyl-1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate
• Formula: C39 H27 Cl F6 N5 P Ru
• Calculated formula: C39 H27 Cl F6 N5 P Ru
• SMILES: [Ru]123(Cl)([n]4ccc(c5ccccc5)c5ccc6c([n]1ccc6c1ccccc1)c45)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Chloro(4,7-diphenyl-1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate
• Authors of publication: Naokazu Yoshikawa; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m545 - m547
• a: 42.071 ± 0.001 Å
• b: 8.6042 ± 0.0001 Å
• c: 19.9088 ± 0.0001 Å
• α: 90°
• β: 96.096 ± 0.002°
• γ: 90°
• Cell volume: 7165.98 ± 0.19 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.738
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes